2-[4-[(2-chloranyl-5-nitro-phenyl)methyl]piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-[(2-chloranyl-5-nitro-phenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[(2-chloro-5-nitro-phenyl)methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[(2-chloro-5-nitrophenyl)methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[(2-chloro-5-nitrophenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-(2-chloro-5-nitro-benzyl)piperazin-4-ium-1-yl]pyrimidine Formula: C15H17ClN5O2+ MolecularWeight: 334.78078

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=NC=CC=N3

InChI

InChI=1S/C15H16ClN5O2/c16-14-3-2-13(21(22)23)10-12(14)11-19-6-8-20(9-7-19)15-17-4-1-5-18-15/h1-5,10H,6-9,11H2/p+1